UCSF

ZINC42077542

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 16 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.22 7.07 -51.36 0 3 -1 53 234.662 1
Lo Low (pH 4.5-6) 3.22 7.46 -51.61 1 3 0 54 235.67 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )